Fabesetron Hydrochloride
TL;DR: Fabesetron Hydrochloride (CAS 129299-90-7) is a chemical compound with molecular formula C18H20ClN3O and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R)-10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one;hydrochloride
Also Known As: Fabesetron hydrochloride, Fabesetron, Fabesetron (hydrochloride), Fabesetron hydrochloride (JAN), FABESETRON MONOHYDROCHLORIDE
| Molecular Formula | C18H20ClN3O |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 3.84834 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.1295 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 129299-90-7 |
|---|---|
| SMILES | CC1=C2CC[C@@H](C(=O)N2C3=CC=CC=C13)CC4=C(NC=N4)C.Cl |
| InChIKey | POKFYJWUPWZYQV-BTQNPOSSSA-N |
Product Overview
Fabesetron Hydrochloride (CAS 129299-90-7), with molecular formula C18H20ClN3O and molecular weight 329.13 g/mol. IUPAC: (7R)-10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one;hydrochloride.
Chemical Property Profile of Fabesetron Hydrochloride
Property Insights of Fabesetron Hydrochloride
The XLogP value of 3.84834 indicates that Fabesetron Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, Fabesetron Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fabesetron Hydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fabesetron Hydrochloride?
The CAS number of Fabesetron Hydrochloride is 129299-90-7.
What is the molecular formula of Fabesetron Hydrochloride?
The molecular formula of Fabesetron Hydrochloride is C18H20ClN3O.
What is the molecular weight of Fabesetron Hydrochloride?
The molecular weight of Fabesetron Hydrochloride is 329.13 g/mol.
Where can I buy Fabesetron Hydrochloride?
You can request a quote for Fabesetron Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fabesetron Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Fabesetron Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.